2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine

C15H21NO — CID 22593685

IUPAC2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
SMILESCN1CCCCC1C1CCc2ccccc2O1
InChIInChI=1S/C15H21NO/c1-16-11-5-4-7-13(16)15-10-9-12-6-2-3-8-14(12)17-15/h2-3,6,8,13,15H,4-5,7,9-11H2,1H3
InChIKeyRJVGVBJTZKQZAY-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.86
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine

2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine (PubChem CID 22593685) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
PubChem CID22593685
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
SMILESCN1CCCCC1C1CCc2ccccc2O1
InChIInChI=1S/C15H21NO/c1-16-11-5-4-7-13(16)15-10-9-12-6-2-3-8-14(12)17-15/h2-3,6,8,13,15H,4-5,7,9-11H2,1H3
InChIKeyRJVGVBJTZKQZAY-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine (CID 22593685) is 2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine is CN1CCCCC1C1CCc2ccccc2O1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine?
The InChIKey is RJVGVBJTZKQZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16-11-5-4-7-13(16)15-10-9-12-6-2-3-8-14(12)17-15/h2-3,6,8,13,15H,4-5,7,9-11H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine?
2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine has a molecular weight of 231.34 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine is sourced from PubChem (CID 22593685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).